LIPID MAPS

Structure Database (LMSD)

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Common Name

beta-Cortolonic acid

Systematic Name

3α,17α,20β-trihydroxy-11-oxopregnan-21-oic acid

Synonyms

5beta-pregnane-3alpha,17alpha,20beta-triol-11-one-21-oic acid

LM ID

LMST02030301

Formula

C₂₁H₃₂O₆

Exact Mass

Calculate m/z

380.21989

Sum Composition

ST 21:2;O6

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

WSGDQTSOKWCQOM-WAJXQZMYSA-N

InChi (Click to copy)

InChI=1S/C21H32O6/c1-19-7-5-12(22)9-11(19)3-4-13-14-6-8-21(27,17(24)18(25)26)20(14,2)10-15(23)16(13)19/h11-14,16-17,22,24,27H,3-10H2,1-2H3,(H,25,26)/t11-,12-,13+,14+,16-,17-,19+,20+,21+/m1/s1

SMILES (Click to copy)

C1C[C@@H](O)C[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@](O)([C@@H](C(O)=O)O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Studies in the biotransformation of cortisol to the cortoic acids in man. II. The central role of tetrahydrocortisol and tetrahydrocortisone as intermediates.,
J Clin Endocrinol Metab, 1977

Pubmed ID: 849978